SCHEMBL2943196

SCHEMBL2943196

CCOC(=O)c1cc2c(cn1)c(Cc1cc(F)ccc1O)cn2CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
CNR2 P34972 1/20 0.37
GABRA2 P47869 9/20 0.37
GABRA1 P14867 8/20 0.37
GABRG2 P18507 8/20 0.37
GABRB3 P28472 8/20 0.37
GABRA5 P31644 8/20 0.37
GABRA3 P34903 8/20 0.37
GABRA4 P48169 8/20 0.37
GABRA6 Q16445 8/20 0.37
GABRB2 P47870 7/20 0.37
GABRP O00591 6/20 0.37
GABRD O14764 6/20 0.37
GABRB1 P18505 6/20 0.37
GABRE P78334 6/20 0.37
GABRG1 Q8N1C3 6/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2947275 0.88 KDM4E (0.40) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL2945832 0.86 KDM4E (0.36) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL2945792 0.85 MAP3K5 (0.37) CNR2MAP3K5
SCHEMBL2951250 0.85 POLB (0.38) LMNAALDH1A1MAPTNPC1CNR2
SCHEMBL2945159 0.83 KDM4E (0.37) LMNAALDH1A1MAPTNPC1CNR2
SCHEMBL2950146 0.82 ALDH1A1 (0.42) LMNAALDH1A1MAPTNPC1RAB9A
SCHEMBL2952022 0.82 RAB9A (0.44) LMNAALDH1A1NPC1RAB9AGABRA2
SCHEMBL2950086 0.80 MRGPRX4 (0.46) ALDH1A1MAPTNPC1RAB9AHSD17B10
SCHEMBL2946990 0.80 GABRA1 (0.46) LMNAALDH1A1MAPTNPC1CNR2
SCHEMBL2945079 0.80 ALOX5 (0.39) LMNAALDH1A1MAPTNPC1CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558611-B1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER (US) 2010-01-06 EP disclosed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US disclosed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US disclosed
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. 2007-01-04 US disclosed
US-7135482-B2 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-11-14 US disclosed
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-07-29 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use IMPDH1, POLA1, POLB LMNA 1696/4885ALDH1A1 794/4885MAPT 2334/4885
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB LMNA 1527/4885ALDH1A1 1133/4885MAPT 2278/4885
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB LMNA 1532/4885ALDH1A1 1208/4885MAPT 1998/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.